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854411-89-5 | 1-Piperazinebutanamine, 4-(3-chloro-2-methoxyphenyl)-
CAS No: 854411-89-5 Catalog No: AG004JXQ MDL No:
Product Description
Catalog Number:
AG004JXQ
Chemical Name:
1-Piperazinebutanamine, 4-(3-chloro-2-methoxyphenyl)-
CAS Number:
854411-89-5
Molecular Formula:
C15H24ClN3O
Molecular Weight:
297.8236
IUPAC Name:
4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butan-1-amine
InChI:
InChI=1S/C15H24ClN3O/c1-20-15-13(16)5-4-6-14(15)19-11-9-18(10-12-19)8-3-2-7-17/h4-6H,2-3,7-12,17H2,1H3
InChI Key:
AXQNYRWWPAVLSM-UHFFFAOYSA-N
SMILES:
NCCCCN1CCN(CC1)c1cccc(c1OC)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.161g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.827g/mol
Monoisotopic Mass:
297.161g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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